N-[3-(2-methylpropoxy)propyl]-4-sulfamoylbenzamide

C14H22N2O4S — CID 103606595

IUPACN-[3-(2-methylpropoxy)propyl]-4-sulfamoylbenzamide
SMILESCC(C)COCCCNC(=O)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C14H22N2O4S/c1-11(2)10-20-9-3-8-16-14(17)12-4-6-13(7-5-12)21(15,18)19/h4-7,11H,3,8-10H2,1-2H3,(H,16,17)(H2,15,18,19)
InChIKeyYJKUJBXQAYCRHI-UHFFFAOYSA-N
MW314.41 g/mol
LogP1.13
Rot. Bonds8

About N-[3-(2-methylpropoxy)propyl]-4-sulfamoylbenzamide

N-[3-(2-methylpropoxy)propyl]-4-sulfamoylbenzamide (PubChem CID 103606595) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is N-[3-(2-methylpropoxy)propyl]-4-sulfamoylbenzamide.

Molecular Properties

Compound NameN-[3-(2-methylpropoxy)propyl]-4-sulfamoylbenzamide
PubChem CID103606595
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC NameN-[3-(2-methylpropoxy)propyl]-4-sulfamoylbenzamide
SMILESCC(C)COCCCNC(=O)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C14H22N2O4S/c1-11(2)10-20-9-3-8-16-14(17)12-4-6-13(7-5-12)21(15,18)19/h4-7,11H,3,8-10H2,1-2H3,(H,16,17)(H2,15,18,19)
InChIKeyYJKUJBXQAYCRHI-UHFFFAOYSA-N
XLogP1.13
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-methylpropoxy)ethyl]-4-sulfamoylbenzamide
CID 115590077
N-[3-(2-methylpropoxy)propyl]-3-sulfamoylbenzamide
CID 103606594
4-(methanesulfonamido)-N-[3-(2-methylpropoxy)propyl]benzamide
CID 32647614
4-bromo-3-methyl-N-[3-(2-methylpropoxy)propyl]benzamide
CID 113338751
methyl 6-[(4-sulfamoylbenzoyl)amino]hexanoate
CID 25181352
4-bromo-N-[2-[[N'-methyl-N-[3-(2-methylpropoxy)propyl]carbamimidoyl]amino]ethyl]benzamide
CID 111402411
4-amino-3,5-dichloro-N-[3-(2-methylpropoxy)propyl]benzamide
CID 82787820
4-propan-2-yloxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 4794711
N-[3-(2-methylpropoxy)propyl]-1H-pyrazole-4-carboxamide
CID 43582844
N-(3-oxobutyl)-4-sulfamoylbenzamide
CID 23579196
N-[2-[3-(2-methylpropoxy)propylamino]-2-oxoethyl]-4-phenylbenzamide
CID 51218463
methyl 7-[(4-sulfamoylbenzoyl)amino]heptyl hydrogen phosphate
CID 165163701

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylpropoxy)propyl]-4-sulfamoylbenzamide?
The IUPAC name of N-[3-(2-methylpropoxy)propyl]-4-sulfamoylbenzamide (CID 103606595) is N-[3-(2-methylpropoxy)propyl]-4-sulfamoylbenzamide.
What is the SMILES notation for N-[3-(2-methylpropoxy)propyl]-4-sulfamoylbenzamide?
The canonical SMILES for N-[3-(2-methylpropoxy)propyl]-4-sulfamoylbenzamide is CC(C)COCCCNC(=O)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of N-[3-(2-methylpropoxy)propyl]-4-sulfamoylbenzamide?
The InChIKey is YJKUJBXQAYCRHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-11(2)10-20-9-3-8-16-14(17)12-4-6-13(7-5-12)21(15,18)19/h4-7,11H,3,8-10H2,1-2H3,(H,16,17)(H2,15,18,19).
What are the key properties of N-[3-(2-methylpropoxy)propyl]-4-sulfamoylbenzamide?
N-[3-(2-methylpropoxy)propyl]-4-sulfamoylbenzamide has a molecular weight of 314.41 g/mol, XLogP of 1.13, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylpropoxy)propyl]-4-sulfamoylbenzamide is sourced from PubChem (CID 103606595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).